SCHEMBL8890694

SCHEMBL8890694

O=C(O)C=NOCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.68
FFAR1 O14842 1/20 0.63
AKR1B1 P15121 1/20 0.63
GPBAR1 Q8TDU6 1/20 0.61
CYSLTR1 Q9Y271 6/20 0.60
CYSLTR2 Q9NS75 5/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8890266 0.99 ALOX5 (0.67) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL8649635 0.90 FFAR1 (0.65) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594855 0.86 ALOX5 (0.73) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594537 0.85 ALOX5 (0.72) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL8555241 0.82 ALOX5 (0.72) ALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL7599624 0.81 ALOX5 (0.66) ALOX5GPBAR1
SCHEMBL8555093 0.81 ALOX5 (0.71) ALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8890119 0.81 ALOX5 (0.57) ALOX5FFAR1
SCHEMBL7596022 0.81 ALOX5 (0.60) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7599646 0.81 ALOX5 (0.65) ALOX5GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012866-A1 BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed